A NONTHERMAL MODEL FOR CATALYTIC SURFACE REACTION OF THE TYPEA2+B2→2AB: A MONTE CARLO SIMULATION STUDY

K. M. Khan, W. Ahmad and K. Iqbal
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K. M. Khan: Nuclear Physics Division, Pakistan Institute of Nuclear Science and Technology (PINSTECH), P. O. Nilore, Islamabad, Pakistan
W. Ahmad: Nuclear Physics Division, Pakistan Institute of Nuclear Science and Technology (PINSTECH), P. O. Nilore, Islamabad, Pakistan
K. Iqbal: Nuclear Physics Division, Pakistan Institute of Nuclear Science and Technology (PINSTECH), P. O. Nilore, Islamabad, Pakistan

International Journal of Modern Physics C (IJMPC), 2003, vol. 14, issue 10, 1413-1426

Abstract: The kinetics of irreversible dimer–dimer reaction of the typeA2+B2→2ABhas already been studied through Monte Carlo simulation via a model based on Langmuir–Hinshelwood (thermal) mechanism. The results of this study are well known. There is single transition point(yC)atyB=0.5(whereyBis partial pressure ofB2dimer in gas phase), which separates the two poisoned states from each other. Here, we have studied this reaction on the basis of a nonthermal model, which involves the precursor motion ofB2molecule. The most interesting feature of this model is that it yields a steady reactive window. The phase diagram is similar to the ZGB model. The reactive window is separated by continuous and discontinuous irreversible phase transitions. The width of the reactive window depends upon the mobility of the precursors. The dependence of production rate on partial pressure ofB2is shown by simple mathematical equations in our model. Some interesting results are observed when reaction between precursors and chemisorbedBatoms is considered.

Keywords: Ziff–Gulari–Barshad model; precursor; phase diagram (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0129183103005492

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